N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-L-tyrosine

C₂₂H₂₇NO₅CAS 64263-81-6385.46 g/mol

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Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₂H₂₇NO₅
Molar mass: 385.46 g/mol
Exact mass: 385.1889 Da
Melting point: 130–134 °C
logP: 4.13Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

64263-81-6

SMILES

CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O

InChIKey

FSNRGORPOYPIJC-IBGZPJMESA-N

InChI

InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23(4)19(20(24)25)14-16-10-12-18(13-11-16)27-15-17-8-6-5-7-9-17/h5-13,19H,14-15H2,1-4H3,(H,24,25)/t19-/m0/s1

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Names and synonyms

3 names

L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-
Boc-MeTyr(OBn)-OH
(2S)-2-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-L-tyrosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-N-methyl-L-tyrosine66638-37-775 % similar Boc-D-N-me-phe DCHA102185-45-571 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosine2130-96-363 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-tyrosine133373-24-758 % similar Boc-N-me-ser-oh101772-29-655 % similar O-Benzyl-L-tyrosine16652-64-555 % similar Boc-D-tic-oh115962-35-151 % similar L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-, 2,5-dioxo-1-pyrrolidinyl ester34805-19-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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